CreatePredAlphaCost pred_alpha2k alpha11 T0293.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0293.t04.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha06 alpha11 T0293.t06.alpha.rdb 2 alpha alpha_prev sum SetCost wet6.5 15 near_backbone 5 way_back 5 dry5 15 dry6.5 20 dry8 15 dry12 5 \ phobic_fit 2 \ sidechain 5 \ n_ca_c 5 bad_peptide 10 \ bystroff 5 \ soft_clashes 20 backbone_clashes 2 \ break 50 \ pred_alpha2k 2 \ pred_alpha04 2 \ pred_alpha06 2 \ constraints 10 \ hbond_geom 5 \ hbond_geom_backbone 10 \ hbond_geom_beta 50 \ hbond_geom_beta_pair 100 \ maybe_metal 0.5 \ missing_atoms 1 # from T0293.dssp-ehl2.constraints HelixConstraint R12 E21 0.7066 # StrandConstraint I27 D28 0.6856 HelixConstraint R41 G53 0.6808 StrandConstraint R64 D67 0.7453 HelixConstraint A72 T82 0.606 StrandConstraint Y87 T91 0.7915 HelixConstraint D95 Q107 0.8257 StrandConstraint I114 V117 0.6906 StrandConstraint D138 C142 0.7237 HelixConstraint Q150 A153 0.6529 HelixConstraint I174 I177 0.6532 HelixConstraint E183 L197 0.6274 StrandConstraint W203 M207 0.8185 HelixConstraint L214 I223 0.6234 StrandConstraint K228 E233 0.6462 StrandConstraint T239 S247 0.6596 # from T0293.undertaker-align.sheets #sheet constraints from conformation 0 T0293-1nv8A-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m:1nv8A SheetConstraint R20 D22 I27 L25 hbond D22 1 SheetConstraint G65 D67 F139 M141 hbond I66 1 SheetConstraint F88 A90 G65 D67 hbond L89 1 SheetConstraint F88 A90 I114 V116 hbond A90 1 SheetConstraint F139 M141 W203 S205 hbond C140 1 SheetConstraint W203 C206 A245 W242 hbond Y204 1 SheetConstraint Y231 T232 W242 R241 hbond T232 1 #sheet constraints from conformation 1 T0293-1dusA-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m:1dusA SheetConstraint R64 G69 Y87 E92 hbond G65 1 SheetConstraint G65 I68 F139 C142 hbond I66 1 SheetConstraint F88 V93 I114 V119 hbond A90 1 SheetConstraint I136 Y137 L197 G198 hbond Y137 1 SheetConstraint D138 N143 R202 M207 hbond C140 1 SheetConstraint R202 L208 F248 W242 hbond Y204 1 SheetConstraint V229 T232 W246 A243 hbond T230 1 #sheet constraints from conformation 2 T0293-1jg1A-t06-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m:1jg1A SheetConstraint G65 I68 F139 C142 hbond I66 1 SheetConstraint I66 G69 L89 E92 hbond D67 1 SheetConstraint F88 V93 I114 V119 hbond A90 1 SheetConstraint I136 Y137 I177 M178 hbond Y137 1 # SheetConstraint D138 C142 G182 F186 hbond C140 1 # SheetConstraint G182 F186 S247 A243 hbond L184 1 #sheet constraints from conformation 3 T0293-1o54A-t06-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m:1o54A SheetConstraint R63 D67 W86 A90 hbond G65 1 SheetConstraint G65 D67 F139 M141 hbond I66 1 SheetConstraint Y87 E92 L113 K118 hbond F88 1 # SheetConstraint D138 C142 G182 F186 hbond C140 1 # SheetConstraint G182 V187 W246 R241 hbond L184 1 SheetConstraint V229 Y231 L244 W242 hbond T230 1 #sheet constraints from conformation 4 T0293-1dl5A-t06-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m:1dl5A SheetConstraint R63 G69 W86 E92 hbond G65 1 SheetConstraint G65 I68 F139 C142 hbond I66 1 SheetConstraint F88 V93 I114 V119 hbond A90 1 SheetConstraint I136 Y137 I177 M178 hbond Y137 1 # SheetConstraint D138 C142 G182 F186 hbond C140 1 #sheet constraints from conformation 5 T0293-1f3lA-t06-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m:1f3lA SheetConstraint R63 D67 W86 A90 hbond G65 1 SheetConstraint G65 D67 F139 M141 hbond I66 1 SheetConstraint Y87 V93 L113 V119 hbond F88 1 SheetConstraint I136 Y137 I177 M178 hbond Y137 1 # SheetConstraint D138 M141 G182 E185 hbond C140 1 #sheet constraints from conformation 6 T0293-1im8A-t06-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m:1im8A SheetConstraint R63 G69 W86 E92 hbond G65 1 SheetConstraint G65 I68 F139 C142 hbond I66 1 SheetConstraint F88 E92 I114 K118 hbond A90 1 # SheetConstraint D138 C142 G182 F186 hbond C140 1 # SheetConstraint E183 F186 L244 R241 hbond L184 1 SheetConstraint K228 E233 L244 T239 hbond K228 1 SheetConstraint E233 C235 M240 R238 hbond E233 1 #sheet constraints from conformation 7 T0293-1g38A-t06-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m:1g38A SheetConstraint R63 G69 W86 E92 hbond G65 1 SheetConstraint G65 I66 F139 C140 hbond I66 1 SheetConstraint F88 V93 I114 V119 hbond A90 1 SheetConstraint I136 Y137 I177 M178 hbond Y137 1 # SheetConstraint D138 C142 G182 F186 hbond C140 1 # SheetConstraint G181 I190 Y249 M240 hbond L184 1 SheetConstraint G225 Y231 F248 W242 hbond V226 1 #sheet constraints from conformation 8 T0293-1ne2A-t06-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m:1ne2A SheetConstraint R63 G69 W86 E92 hbond G65 1 SheetConstraint R64 I68 D138 C142 hbond I66 1 SheetConstraint F88 V93 I114 V119 hbond A90 1 # SheetConstraint F139 N143 E183 V187 hbond C140 1 #sheet constraints from conformation 9 T0293-1sqgA-t06-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m:1sqgA SheetConstraint R63 G69 W86 E92 hbond G65 1 SheetConstraint G65 I68 F139 C142 hbond I66 1 SheetConstraint L89 V93 K115 V119 hbond A90 1 SheetConstraint I136 Y137 I177 M178 hbond Y137 1 # SheetConstraint D138 N143 G182 V187 hbond C140 1 # from rr.constraints Constraint G65.CA F88.CB -10. 7.0 14.0 0.0765402179419 Constraint A72.CB C97.CB -10. 7.0 14.0 0.0693275408327 Constraint Y76.CB F88.CB -10. 7.0 14.0 0.0659151090181 Constraint I66.CB C140.CB -10. 7.0 14.0 0.0607618739984 Constraint A90.CB V116.CB -10. 7.0 14.0 0.0582552481068 Constraint I66.CB Y137.CB -10. 7.0 14.0 0.057852183535 Constraint Y76.CB A90.CB -10. 7.0 14.0 0.0573167612726 Constraint C74.CB C97.CB -10. 7.0 14.0 0.0569300371563 Constraint A72.CB A90.CB -10. 7.0 14.0 0.0564142234407 Constraint T70.CB A90.CB -10. 7.0 14.0 0.0560525546897 Constraint I75.CB C97.CB -10. 7.0 14.0 0.0557393626237 Constraint I68.CB T91.CB -10. 7.0 14.0 0.0538527458099 Constraint T70.CB T91.CB -10. 7.0 14.0 0.051523541263 Constraint C97.CB P144.CB -10. 7.0 14.0 0.0500755662447 Constraint F98.CB V116.CB -10. 7.0 14.0 0.0500026221357 Constraint F88.CB C140.CB -10. 7.0 14.0 0.0492380029443 bonus Constraint I68.CB A90.CB -10. 7.0 14.0 0.0482911132136 bonus Constraint G69.CA T91.CB -10. 7.0 14.0 0.0476884182553 bonus Constraint I66.CB F88.CB -10. 7.0 14.0 0.0472510955574 bonus Constraint S73.CB T91.CB -10. 7.0 14.0 0.0457676284768 bonus Constraint Y76.CB C97.CB -10. 7.0 14.0 0.0455158305582 bonus Constraint E92.CB N143.CB -10. 7.0 14.0 0.0450426241249 bonus Constraint I75.CB N143.CB -10. 7.0 14.0 0.0448255871742 bonus Constraint A101.CB V116.CB -10. 7.0 14.0 0.044730746653 bonus Constraint I68.CB C140.CB -10. 7.0 14.0 0.0446860908022 bonus Constraint L89.CB K115.CB -10. 7.0 14.0 0.0445300079714 bonus Constraint S73.CB A90.CB -10. 7.0 14.0 0.0440534001592 bonus Constraint F88.CB I114.CB -10. 7.0 14.0 0.0436596462599 bonus Constraint L78.CB C97.CB -10. 7.0 14.0 0.0433854801592 bonus Constraint C140.CB N170.CB -10. 7.0 14.0 0.0433107434038 bonus Constraint G71.CA T91.CB -10. 7.0 14.0 0.0428935162193 bonus Constraint T70.CB E92.CB -10. 7.0 14.0 0.0425994411765 bonus Constraint V105.CB V116.CB -10. 7.0 14.0 0.0422420746022 bonus Constraint P77.CB F88.CB -10. 7.0 14.0 0.0421856959929 bonus Constraint G71.CA A90.CB -10. 7.0 14.0 0.0421312955804 bonus Constraint C97.CB N143.CB -10. 7.0 14.0 0.0416260644769 bonus Constraint E92.CB K118.CB -10. 7.0 14.0 0.0404506313074 bonus Constraint G71.CA E92.CB -10. 7.0 14.0 0.0399074867138 bonus Constraint G69.CA A90.CB -10. 7.0 14.0 0.0396536632249 bonus Constraint A72.CB N143.CB -10. 7.0 14.0 0.0394077407512 bonus Constraint A72.CB E92.CB -10. 7.0 14.0 0.0392666155918 bonus Constraint S73.CB F88.CB -10. 7.0 14.0 0.039117968533 bonus Constraint I66.CB A90.CB -10. 7.0 14.0 0.0390961192062 bonus Constraint L89.CB Y137.CB -10. 7.0 14.0 0.0389834467552 bonus Constraint I68.CB V116.CB -10. 7.0 14.0 0.0386895738938 bonus Constraint D67.CB A90.CB -10. 7.0 14.0 0.0385902312684 bonus Constraint N104.CB N143.CB -10. 7.0 14.0 0.0377701226171 bonus Constraint G69.CA E92.CB -10. 7.0 14.0 0.0371961233198 bonus Constraint G71.CA C142.CB -10. 7.0 14.0 0.0369572553299 bonus Constraint L89.CB V117.CB -10. 7.0 14.0 0.0369102174281 bonus Constraint V48.CB I75.CB -10. 7.0 14.0 0.0367062513536 bonus Constraint V116.CB C140.CB -10. 7.0 14.0 0.0365453157143 bonus Constraint G71.CA N143.CB -10. 7.0 14.0 0.03653053 bonus Constraint I68.CB E92.CB -10. 7.0 14.0 0.0363838557143 bonus Constraint S73.CB C140.CB -10. 7.0 14.0 0.0362850871429 bonus Constraint C140.CB P164.CB -10. 7.0 14.0 0.0362635567123 bonus Constraint I68.CB L79.CB -10. 7.0 14.0 0.0360397715068 bonus Constraint Y76.CB W86.CB -10. 7.0 14.0 0.0358483001795 bonus # from V1-E49/T0293.dssp-ehl2.constraints StrandConstraint V1 L3 0.7269 HelixConstraint P8 D22 0.6433 StrandConstraint Y44 W47 0.7415 # from V1-E49/rr.constraints Constraint T15.CB L25.CB -10. 7.0 14.0 0.0576223277926 Constraint L3.CB I27.CB -10. 7.0 14.0 0.0484596224057 bonus Constraint L25.CB L42.CB -10. 7.0 14.0 0.0466830964422 bonus Constraint I29.CB I45.CB -10. 7.0 14.0 0.0456862282876 bonus Constraint L3.CB C16.CB -10. 7.0 14.0 0.0424365972893 bonus Constraint I29.CB V38.CB -10. 7.0 14.0 0.0423007611078 bonus Constraint I35.CB H46.CB -10. 7.0 14.0 0.0419244655718 bonus Constraint L14.CB L25.CB -10. 7.0 14.0 0.0404382064311 bonus Constraint L3.CB I35.CB -10. 7.0 14.0 0.0377357820679 bonus Constraint L3.CB I45.CB -10. 7.0 14.0 0.037104857022 bonus Constraint I29.CB H46.CB -10. 7.0 14.0 0.0346599555342 bonus Constraint I27.CB H46.CB -10. 7.0 14.0 0.0339415867543 bonus Constraint V11.CB L25.CB -10. 7.0 14.0 0.032889066776 bonus Constraint I29.CB Y44.CB -10. 7.0 14.0 0.0315219472957 bonus Constraint L34.CB I45.CB -10. 7.0 14.0 0.0305529052885 bonus Constraint L18.CB L34.CB -10. 7.0 14.0 0.0302846935913 bonus Constraint L25.CB W47.CB -10. 7.0 14.0 0.0302328828025 bonus Constraint L25.CB V38.CB -10. 7.0 14.0 0.030228891465 bonus Constraint L3.CB L25.CB -10. 7.0 14.0 0.0301308185987 bonus # from V1-E49/decoys/try1-opt2.sheets SheetConstraint V1 L3 L34 E32 hbond V1 1 SheetConstraint F23 I29 V38 E32 hbond G24 1 # from D28-D250/T0293.dssp-ehl2.constraints HelixConstraint R41 G53 0.6862 StrandConstraint R64 D67 0.744 HelixConstraint A72 A81 0.6357 StrandConstraint Y87 E92 0.6242 HelixConstraint D95 Q107 0.824 StrandConstraint I114 V117 0.6201 HelixConstraint M126 D127 0.6008 StrandConstraint F139 C142 0.7015 HelixConstraint L151 K154 0.6145 HelixConstraint N157 R162 0.6371 StrandConstraint T175 M178 0.7303 HelixConstraint L184 L197 0.6318 StrandConstraint W203 C206 0.7879 HelixConstraint L214 R222 0.6898 StrandConstraint K228 T230 0.6695 StrandConstraint M240 W246 0.7473 # from D28-D250/T0293.undertaker-align.sheets #sheet constraints from conformation 0 T0293-1nv8A-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m:1nv8A SheetConstraint G65 D67 F139 M141 hbond I66 1 SheetConstraint F88 A90 G65 D67 hbond L89 1 SheetConstraint F88 A90 I114 V116 hbond A90 1 SheetConstraint F139 M141 W203 S205 hbond C140 1 SheetConstraint W203 C206 A245 W242 hbond Y204 1 SheetConstraint Y231 T232 W242 R241 hbond T232 1 #sheet constraints from conformation 1 T0293-2as0A-t06-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m:2as0A SheetConstraint R64 I68 Y87 T91 hbond G65 1 SheetConstraint G65 D67 F139 M141 hbond I66 1 SheetConstraint Y87 V93 L113 V119 hbond F88 1 # SheetConstraint D138 N143 G182 V187 hbond C140 1 # SheetConstraint G181 R189 S247 T239 hbond L184 1 SheetConstraint V229 F234 F248 A243 hbond T230 1 #sheet constraints from conformation 2 T0293-1dusA-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m:1dusA SheetConstraint R64 G69 Y87 E92 hbond G65 1 SheetConstraint G65 I68 F139 C142 hbond I66 1 SheetConstraint F88 V93 I114 V119 hbond A90 1 SheetConstraint I136 Y137 I177 M178 hbond Y137 1 # SheetConstraint D138 N143 G182 V187 hbond C140 1 # SheetConstraint G182 V187 F248 A243 hbond L184 1 SheetConstraint V229 T232 W246 A243 hbond T230 1 #sheet constraints from conformation 3 T0293-1l3iA-t06-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m:1l3iA SheetConstraint R64 G69 Y87 E92 hbond G65 1 SheetConstraint G65 I68 F139 C142 hbond I66 1 SheetConstraint Y87 V93 L113 V119 hbond F88 1 SheetConstraint I136 D138 I177 A179 hbond Y137 1 # SheetConstraint D138 C142 G182 F186 hbond C140 1 # SheetConstraint E185 R189 F248 L244 hbond F186 1 SheetConstraint T230 C235 A243 R238 hbond Y231 1 #sheet constraints from conformation 4 T0293-1ve3A-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m:1ve3A SheetConstraint R64 G69 Y87 E92 hbond G65 1 SheetConstraint R64 D67 D138 M141 hbond I66 1 SheetConstraint F88 V93 I114 V119 hbond A90 1 SheetConstraint I136 Y137 I177 M178 hbond Y137 1 # SheetConstraint D138 C142 G182 F186 hbond C140 1 # SheetConstraint E183 R189 A245 T239 hbond L184 1 SheetConstraint V229 T232 W246 A243 hbond T230 1 SheetConstraint E233 F234 A243 W242 hbond E233 1 #sheet constraints from conformation 5 T0293-1wznA-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m:1wznA SheetConstraint R63 G69 W86 E92 hbond G65 1 SheetConstraint G65 I68 F139 C142 hbond I66 1 SheetConstraint L89 V93 K115 V119 hbond A90 1 # SheetConstraint F139 C142 L184 V187 hbond C140 1 # SheetConstraint L184 R189 W246 R241 hbond E185 1 SheetConstraint K228 T232 W246 W242 hbond K228 1 #sheet constraints from conformation 6 T0293-1ufkA-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m:1ufkA SheetConstraint R63 G69 W86 E92 hbond G65 1 SheetConstraint R64 I68 D138 C142 hbond I66 1 SheetConstraint F88 V93 I114 V119 hbond A90 1 SheetConstraint I136 Y137 I177 M178 hbond Y137 1 # SheetConstraint D138 N143 G182 V187 hbond C140 1 # SheetConstraint E183 V187 W246 W242 hbond L184 1 SheetConstraint V229 F234 A245 M240 hbond T230 1 #sheet constraints from conformation 7 T0293-1wxxA-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m:1wxxA SheetConstraint T61 R63 T82 N84 hbond L62 1 SheetConstraint R64 G69 Y87 E92 hbond G65 1 SheetConstraint G65 I68 F139 C142 hbond I66 1 SheetConstraint F88 V93 I114 V119 hbond A90 1 # SheetConstraint D138 N143 G182 V187 hbond C140 1 #sheet constraints from conformation 8 T0293-1xxlA-t06-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m:1xxlA SheetConstraint R64 G69 Y87 E92 hbond G65 1 SheetConstraint G65 I68 F139 C142 hbond I66 1 SheetConstraint F88 V93 I114 V119 hbond A90 1 # SheetConstraint D138 C142 G182 F186 hbond C140 1 #sheet constraints from conformation 9 T0293-1vl5A-t06-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m:1vl5A SheetConstraint F88 L89 G65 I66 hbond L89 1 # SheetConstraint M141 C142 E185 F186 hbond C142 1 # SheetConstraint V187 I190 F248 A245 hbond K188 1 SheetConstraint T232 C235 F248 A245 hbond T232 1 # from D28-D250/rr.constraints Constraint T70.CB A90.CB -10. 7.0 14.0 0.075201389945 Constraint G65.CA F88.CB -10. 7.0 14.0 0.0734240930558 Constraint Y76.CB A90.CB -10. 7.0 14.0 0.072901198476 Constraint Y76.CB F88.CB -10. 7.0 14.0 0.0721598864729 Constraint V105.CB V116.CB -10. 7.0 14.0 0.0717584559466 Constraint I66.CB Y137.CB -10. 7.0 14.0 0.0705323770935 Constraint A72.CB C97.CB -10. 7.0 14.0 0.0698460779576 Constraint I68.CB T91.CB -10. 7.0 14.0 0.0692877790573 Constraint C140.CB M178.CB -10. 7.0 14.0 0.0680649682954 Constraint F88.CB C140.CB -10. 7.0 14.0 0.0670153663629 Constraint I66.CB C140.CB -10. 7.0 14.0 0.066981596088 Constraint I68.CB A90.CB -10. 7.0 14.0 0.0653573547997 Constraint P77.CB F88.CB -10. 7.0 14.0 0.0649711753653 Constraint F98.CB V116.CB -10. 7.0 14.0 0.0649346816811 Constraint A90.CB V116.CB -10. 7.0 14.0 0.0644308509662 Constraint G65.CA C140.CB -10. 7.0 14.0 0.0625097580676 Constraint I68.CB M141.CB -10. 7.0 14.0 0.0621954766379 Constraint I66.CB F88.CB -10. 7.0 14.0 0.0620075613983 Constraint I66.CB A90.CB -10. 7.0 14.0 0.061032036198 Constraint I66.CB L89.CB -10. 7.0 14.0 0.0606616525373 Constraint D67.CB A90.CB -10. 7.0 14.0 0.0606011928515 Constraint L89.CB K115.CB -10. 7.0 14.0 0.0605897545326 Constraint V105.CB I114.CB -10. 7.0 14.0 0.060472647934 Constraint F88.CB I114.CB -10. 7.0 14.0 0.0604219925216 Constraint G69.CA A90.CB -10. 7.0 14.0 0.0599568342184 Constraint A72.CB A90.CB -10. 7.0 14.0 0.0599127149882 Constraint I68.CB F88.CB -10. 7.0 14.0 0.0582040480126 Constraint G65.CA F139.CB -10. 7.0 14.0 0.0581659202828 Constraint G69.CA C142.CB -10. 7.0 14.0 0.0572878931343 Constraint T70.CB T91.CB -10. 7.0 14.0 0.0572138164022 Constraint I68.CB C142.CB -10. 7.0 14.0 0.0570400628908 Constraint T70.CB E92.CB -10. 7.0 14.0 0.056797134784 Constraint C74.CB C97.CB -10. 7.0 14.0 0.0561974400628 Constraint T91.CB C140.CB -10. 7.0 14.0 0.0561108356481 Constraint A72.CB E92.CB -10. 7.0 14.0 0.0560830568735 Constraint I68.CB C140.CB -10. 7.0 14.0 0.0552992596858 Constraint G69.CA N143.CB -10. 7.0 14.0 0.0551792316333 Constraint I75.CB C97.CB -10. 7.0 14.0 0.0549399895754 Constraint L89.CB Y137.CB -10. 7.0 14.0 0.0546871872388 Constraint G69.CA T91.CB -10. 7.0 14.0 0.0545840322624 Constraint L78.CB C97.CB -10. 7.0 14.0 0.0539418562121 Constraint F88.CB F139.CB -10. 7.0 14.0 0.0534042880252 Constraint I66.CB F139.CB -10. 7.0 14.0 0.0529814233276 Constraint G71.CA A90.CB -10. 7.0 14.0 0.0515945098616 Constraint I66.CB T91.CB -10. 7.0 14.0 0.0515075870819 Constraint S73.CB W86.CB -10. 7.0 14.0 0.0503121280428 Constraint S73.CB T91.CB -10. 7.0 14.0 0.0500917760467 Constraint A72.CB M141.CB -10. 7.0 14.0 0.0497772045764 bonus Constraint Y76.CB C140.CB -10. 7.0 14.0 0.0495186517056 bonus Constraint C140.CB N170.CB -10. 7.0 14.0 0.0494952643088 bonus Constraint A101.CB V116.CB -10. 7.0 14.0 0.0491840320287 bonus Constraint I66.CB L79.CB -10. 7.0 14.0 0.0491216656373 bonus Constraint C142.CB F186.CB -10. 7.0 14.0 0.0476604656704 bonus Constraint C140.CB F186.CB -10. 7.0 14.0 0.0475914859047 bonus Constraint E92.CB V116.CB -10. 7.0 14.0 0.0471149394184 bonus Constraint I68.CB V116.CB -10. 7.0 14.0 0.0470369426898 bonus Constraint G65.CA W86.CB -10. 7.0 14.0 0.0468737356624 bonus Constraint R64.CB Y87.CB -10. 7.0 14.0 0.0468044557814 bonus Constraint I68.CB E92.CB -10. 7.0 14.0 0.0467006847522 bonus Constraint A72.CB T91.CB -10. 7.0 14.0 0.0466529031766 bonus Constraint A90.CB I114.CB -10. 7.0 14.0 0.0464131158831 bonus Constraint I75.CB M141.CB -10. 7.0 14.0 0.0462674260483 bonus Constraint G69.CA E92.CB -10. 7.0 14.0 0.0462322494282 bonus Constraint S73.CB C140.CB -10. 7.0 14.0 0.0462002973316 bonus Constraint I68.CB P77.CB -10. 7.0 14.0 0.0460015183538 bonus Constraint Y76.CB W86.CB -10. 7.0 14.0 0.045924459508 bonus Constraint I66.CB Y76.CB -10. 7.0 14.0 0.04569870965 bonus Constraint T91.CB M141.CB -10. 7.0 14.0 0.0455576159886 bonus Constraint P77.CB N108.CB -10. 7.0 14.0 0.0438669317772 bonus Constraint F88.CB M141.CB -10. 7.0 14.0 0.0437748048806 bonus Constraint I68.CB I114.CB -10. 7.0 14.0 0.0437034951194 bonus Constraint S73.CB A90.CB -10. 7.0 14.0 0.0436224411671 bonus Constraint C74.CB N104.CB -10. 7.0 14.0 0.0436157974005 bonus Constraint C140.CB L184.CB -10. 7.0 14.0 0.043473177878 bonus Constraint I68.CB L79.CB -10. 7.0 14.0 0.043147270988 bonus Constraint I66.CB W86.CB -10. 7.0 14.0 0.0429114850371 bonus Constraint Y44.CB A72.CB -10. 7.0 14.0 0.0425104499705 bonus Constraint P77.CB W86.CB -10. 7.0 14.0 0.0422430637006 bonus Constraint C140.CB S205.CB -10. 7.0 14.0 0.0417226182482 bonus Constraint G71.CA C142.CB -10. 7.0 14.0 0.0412446427848 bonus Constraint E92.CB V117.CB -10. 7.0 14.0 0.0412322082278 bonus Constraint T70.CB L79.CB -10. 7.0 14.0 0.0408840406329 bonus Constraint E92.CB K118.CB -10. 7.0 14.0 0.0407710483544 bonus Constraint A101.CB I114.CB -10. 7.0 14.0 0.0406840064557 bonus Constraint G71.CA E92.CB -10. 7.0 14.0 0.0405704735443 bonus Constraint I68.CB L89.CB -10. 7.0 14.0 0.0404541812721 bonus Constraint C97.CB L125.CB -10. 7.0 14.0 0.0399562987279 bonus Constraint G65.CA A90.CB -10. 7.0 14.0 0.0399203553357 bonus Constraint G71.CA T91.CB -10. 7.0 14.0 0.0398946180919 bonus Constraint S73.CB F88.CB -10. 7.0 14.0 0.0398200768741 bonus Constraint A90.CB A101.CB -10. 7.0 14.0 0.0397114868458 bonus Constraint I114.CB F139.CB -10. 7.0 14.0 0.0396165559406 bonus Constraint D67.CB C142.CB -10. 7.0 14.0 0.0395896929986 bonus Constraint Y76.CB C97.CB -10. 7.0 14.0 0.0394410520198 bonus Constraint I174.CB L184.CB -10. 7.0 14.0 0.0391244158753 bonus Constraint S73.CB E92.CB -10. 7.0 14.0 0.0389165887906 bonus Constraint A90.CB M141.CB -10. 7.0 14.0 0.0387099712389 bonus Constraint A72.CB N104.CB -10. 7.0 14.0 0.0387054384956 bonus Constraint R64.CB L89.CB -10. 7.0 14.0 0.0386518010324 bonus Constraint G69.CA M141.CB -10. 7.0 14.0 0.038477049689 bonus Constraint I66.CB I75.CB -10. 7.0 14.0 0.0384582188958 bonus Constraint T91.CB V117.CB -10. 7.0 14.0 0.0384172981337 bonus # from D28-D250/decoys/try1-opt2.sheets SheetConstraint R63 G69 W86 E92 hbond G65 1 SheetConstraint G65 D67 F139 M141 hbond I66 1 SheetConstraint A90 V93 V116 V119 hbond E92 1 # SheetConstraint F139 N143 E183 V187 hbond C140 1 # SheetConstraint G181 R189 F248 M240 hbond L184 1 SheetConstraint C206 G209 S247 L244 hbond M207 1 SheetConstraint K210 S213 L244 R241 hbond K210 1